[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane

C37H38OP2 — CID 89214692

IUPAC[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
SMILESCc1cc(C)c(OCc2ccccc2)c(C(C)(C)Pc2c(C)cccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C37H38OP2/c1-27-24-29(3)35(38-26-30-17-9-6-10-18-30)33(25-27)37(4,5)39-36-28(2)16-15-23-34(36)40(31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-25,39H,26H2,1-5H3
InChIKeyUOFPMUQWTDQGDN-UHFFFAOYSA-N
MW560.66 g/mol
LogP8.19
Rot. Bonds9

About [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane

[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane (PubChem CID 89214692) has the molecular formula C37H38OP2 and a molecular weight of 560.66 g/mol. Its IUPAC name is [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
PubChem CID89214692
Molecular FormulaC37H38OP2
Molecular Weight560.66 g/mol
Exact Mass560.24
IUPAC Name[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
SMILESCc1cc(C)c(OCc2ccccc2)c(C(C)(C)Pc2c(C)cccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C37H38OP2/c1-27-24-29(3)35(38-26-30-17-9-6-10-18-30)33(25-27)37(4,5)39-36-28(2)16-15-23-34(36)40(31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-25,39H,26H2,1-5H3
InChIKeyUOFPMUQWTDQGDN-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356515
N-benzyl-N-[[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040157
[2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356670
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 88969336
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]-N-methyl-1-phenylmethanimine
CID 88968917
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356451
N-[[2-[3-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040012
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
CID 71039911
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanol
CID 70807417
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
The IUPAC name of [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane (CID 89214692) is [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane is Cc1cc(C)c(OCc2ccccc2)c(C(C)(C)Pc2c(C)cccc2P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
The InChIKey is UOFPMUQWTDQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38OP2/c1-27-24-29(3)35(38-26-30-17-9-6-10-18-30)33(25-27)37(4,5)39-36-28(2)16-15-23-34(36)40(31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-25,39H,26H2,1-5H3.
What are the key properties of [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane has a molecular weight of 560.66 g/mol, XLogP of 8.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane is sourced from PubChem (CID 89214692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).